General Information of the Compound
| Compound ID |
CP0101367
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| Compound Name |
2-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-butoxy]-phenoxy}-propionic acid
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| Structure |
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| Formula |
C29H31NO6
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| Molecular Weight |
489.568
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| Canonical SMILES |
CCCc1c(OCCCCOc2ccc(OC(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
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| InChI |
InChI=1S/C29H31NO6/c1-3-9-24-26(17-16-25-27(30-36-28(24)25)21-10-5-4-6-11-21)34-19-8-7-18-33-22-12-14-23(15-13-22)35-20(2)29(31)32/h4-6,10-17,20H,3,7-9,18-19H2,1-2H3,(H,31,32)
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| InChIKey |
OMZLWUCIRCWAKE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound